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5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one

C18H16N4O3 — CID 135971881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)cc(-n2c(-c3cc4c(cc3O)NC(=O)C4)n[nH]c2=O)c1
InChIInChI=1S/C18H16N4O3/c1-9-3-10(2)5-12(4-9)22-17(20-21-18(22)25)13-6-11-7-16(24)19-14(11)8-15(13)23/h3-6,8,23H,7H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyYUWJOFPBGRYMCX-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.04
Rot. Bonds2

About 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one

5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one (PubChem CID 135971881) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one
PubChem CID135971881
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)cc(-n2c(-c3cc4c(cc3O)NC(=O)C4)n[nH]c2=O)c1
InChIInChI=1S/C18H16N4O3/c1-9-3-10(2)5-12(4-9)22-17(20-21-18(22)25)13-6-11-7-16(24)19-14(11)8-15(13)23/h3-6,8,23H,7H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyYUWJOFPBGRYMCX-UHFFFAOYSA-N
XLogP2.04
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one (CID 135971881) is 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one is Cc1cc(C)cc(-n2c(-c3cc4c(cc3O)NC(=O)C4)n[nH]c2=O)c1.
What is the InChIKey of 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is YUWJOFPBGRYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-9-3-10(2)5-12(4-9)22-17(20-21-18(22)25)13-6-11-7-16(24)19-14(11)8-15(13)23/h3-6,8,23H,7H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one?
5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-6-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 135971881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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